8-benzylsulfanyl-3-[[1-(4-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]methylidene]-2-imino-7-thia-1,5,9-triazabicyclo[4.3.0]nona-5,8-dien-4-one
Molecular Formula:
C
25
H
20
FN
5
OS
2
InChI:
InChI=1/C25H20FN5OS2/c1-15-12-18(16(2)30(15)20-10-8-19(26)9-11-20)13-21-22(27)31-24(28-23(21)32)34-25(29-31)33-14-17-6-4-3-5-7-17/h3-13,27H,14H2,1-2H3/b21-13u,27-22+
InChIKey:
InChIKey=VBUKNKJWZVQDRL-JDSOGCEMBL
SMILES:
CC1=CC(=C(N1C2=CC=C(C=C2)F)C)C=C3C(=N)N4C(=NC3=O)SC(=N4)SCC5=CC=CC=C5
Names:
8-benzylsulfanyl-3-[[1-(4-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]methylidene]-2-imino-7-thia-1,5,9-triazabicyclo[4.3.0]nona-5,8-dien-4-one
Registries:
PubChem CID 2930180
PubChem ID 4821374